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Quantum dynamical calculations of the H + LiH+ → Li+ + H2 reaction were performed based on the potential energy surface (PES) reported by Dong et al. (RSC Adv. 7, 7008 (2017)) using the time-depend...

The effects of the rovibrational excitation of reactants in the N(2D) + D2(X1Σg+) → ND(X3Σ+) + D(2S) reaction are calculated in a collision energy range from the threshold to 1.0 eV using the time-...

Based on the potential energy surface reported by Li and co-workers (J. Comput. Chem. 34 1686–1696 (2013)), the dynamics calculations of N(2D) + H2(v0 = 0, j0 = 0) reaction and its isotopic variant...

Based on the potential energy surface (PES) reported by Li et al. (Phys. Chem. Chem. Phys. 20, 1039 (2018)), the initial state dynamics calculation of O+ + D2 (v = 0, j = 0) reaction was conducted ...

Compared to conventional diesel fuels, biodiesels normally have lower smoke and particulate matter, while higher nitrogen oxides (NOX) emissions. In our study, an attempt was made to reduce the NOX emissions of biodiesels by increasing the cetane numbers (CNs). Three kinds of biodiesels with extremely high CNs (70.1, 76.9, 80.9, respectively) were developed. Their main physical and chemical properties were tested. With a two-cylinder direct injection diesel engine, their emission performances were experimentally investigated. The results indicate that, CN, freezing point, as well as viscosity of biodiesels are linearly increased with the increase of carbon number. The NOX emission for biodiesels with high CNs is lower than that of conventional diesel fuels. High CN promotes smoke formation as well while lower smoke emissions are still obtained for biodiesels when certain oxygen contents are present. That is, the smoke/NOX tradeoff is broken. Besides, as fuel CN is elevated, NOX for biodiesels decr...